4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine

C14H16F3NO — CID 134933046

IUPAC4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine
SMILESFC(F)(F)/C(=C\Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)13(18-8-10-19-11-9-18)7-6-12-4-2-1-3-5-12/h1-5,7H,6,8-11H2/b13-7+
InChIKeyHCIDRJTVUFCVRW-NTUHNPAUSA-N
MW271.28 g/mol
LogP3.01
Rot. Bonds3

About 4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine

4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine (PubChem CID 134933046) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine
PubChem CID134933046
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine
SMILESFC(F)(F)/C(=C\Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)13(18-8-10-19-11-9-18)7-6-12-4-2-1-3-5-12/h1-5,7H,6,8-11H2/b13-7+
InChIKeyHCIDRJTVUFCVRW-NTUHNPAUSA-N
XLogP3.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Phenylpropyl)morpholine
CID 782728
4-(2-Phenylethyl)morpholine
CID 411956
4-(3-Phenylprop-2-yn-1-yl)morpholine hydrochloride
CID 6456085
4-(2,2-Diphenylvinyl)morpholine
CID 415867
4-(3-Phenylprop-2-ynyl)morpholine
CID 776254
Morpholine, 4-(1-methyl-3-phenylpropyl)-
CID 200844
4-[(E)-3-phenylbut-2-enyl]morpholine;hydrochloride
CID 57402672
Cambridge id 5427248
CID 2244852
4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine
CID 14296892
4-[(2E)-3-phenylprop-2-en-1-yl]morpholine
CID 5473932
4-[(E)-2-phenylethenyl]morpholine
CID 11063198
4-(2-Phenylprop-2-enyl)morpholine
CID 11310211

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine?
The IUPAC name of 4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine (CID 134933046) is 4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine.
What is the SMILES notation for 4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine?
The canonical SMILES for 4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine is FC(F)(F)/C(=C\Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine?
The InChIKey is HCIDRJTVUFCVRW-NTUHNPAUSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)13(18-8-10-19-11-9-18)7-6-12-4-2-1-3-5-12/h1-5,7H,6,8-11H2/b13-7+.
What are the key properties of 4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine?
4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine has a molecular weight of 271.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine is sourced from PubChem (CID 134933046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).